3-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[(2-chloranyl-5-nitro-phenyl)methyl-methyl-amino]propanenitrile Openeye Name: 3-[(2-chloro-5-nitro-phenyl)methyl-methyl-amino]propanenitrile CAS Name: 3-[(2-chloro-5-nitrophenyl)methyl-methylamino]propanenitrile IUPAC Name: 3-[(2-chloro-5-nitrophenyl)methyl-methylamino]propanenitrile Traditional Name: 3-[(2-chloro-5-nitro-benzyl)-methyl-amino]propionitrile Formula: C11H12ClN3O2 MolecularWeight: 253.68488

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

Isomeric SMILES

CN(CCC#N)CC1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C11H12ClN3O2/c1-14(6-2-5-13)8-9-7-10(15(16)17)3-4-11(9)12/h3-4,7H,2,6,8H2,1H3